input word = C00041954

Metabolite InformationStructural formula
Name Umbellacin B
Formula C23H36O7
Mw 424.2461035
CAS RN 871483-33-9
C_ID C00041954 ,
InChIKey XXCNRYRAZQDXFI-LNUMYGBCNA-N
InChICode InChI=1S/C23H36O7/c1-14(2)18(25)7-6-16(12-30-15(3)24)17-8-10-22(4)13-23(28,11-9-19(22)26)20(17)21(27)29-5/h6,17-20,25-26,28H,1,7-13H2,2-5H3/b16-6-/t17-,18-,19+,20+,22+,23-/m1/s1
SMILES [C@@H]1(CC[C@@]2([C@@H]([C@H](CC[C@@]1(C)C2)/C(=C\C[C@H](C(=C)C)O)/COC(=O)C)C(=O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia umbellata Ref.
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OrganismXenia umbellata
ReferenceEl-Gamal,J.Nat.Prod.,69,(2006),338